Home Other Building Blocks 5-IODO-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE

5-IODO-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE

CAS No.:
1015780-53-6
Catalog Number:
AG01AOP1
Molecular Formula:
C4H2F3IN2
Molecular Weight:
261.9718
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Product Description
Catalog Number:
AG01AOP1
Chemical Name:
5-IODO-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
CAS Number:
1015780-53-6
Molecular Formula:
C4H2F3IN2
Molecular Weight:
261.9718
MDL Number:
MFCD24540492
IUPAC Name:
3-iodo-5-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C4H2F3IN2/c5-4(6,7)2-1-3(8)10-9-2/h1H,(H,9,10)
InChI Key:
YBXYQFSOMKXHDQ-UHFFFAOYSA-N
SMILES:
FC(c1cc([nH]n1)I)(F)F
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.921g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.974g/mol
Monoisotopic Mass:
261.921g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties